Pyridinium, 3-(aminocarbonyl)-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-, inner salt, P′→5′-ester with 3-(2-O-phosphono-β-D-ribofuranosyl)-3H-imidazo[2,1-i]purine, monosodium salt
CAS Registry Number®
104809-28-1
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CAS Name
Pyridinium, 3-(aminocarbonyl)-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-, inner salt, P′→5′-ester with 3-(2-O-phosphono-β-D-ribofuranosyl)-3H-imidazo[2,1-i]purine, monosodium saltMolecular Formula
C23H28N7O17P3.NaCite this Page
Pyridinium, 3-(aminocarbonyl)-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-, inner salt, P′→5′-ester with 3-(2-O-phosphono-β-D-ribofuranosyl)-3H-imidazo[2,1-i]purine, monosodium salt. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=104809-28-1 (retrieved ) (CAS RN: 104809-28-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C23H28N7O17P3.Na/c24-19(34)11-2-1-4-28(6-11)22-17(33)15(31)12(44-22)7-42-49(38,39)47-50(40,41)43-8-13-16(32)18(46-48(35,36)37)23(45-13)30-10-26-14-20-25-3-5-29(20)9-27-21(14)30;/h1-6,9-10,12-13,15-18,22-23,31-33H,7-8H2,(H5-,24,34,35,36,37,38,39,40,41);/t12-,13-,15-,16-,17-,18-,22-,23-;/m1./s1
InChIKey
InChIKey=RGUGQMYZXNFZDV-JIVSRYSWSA-N
SMILES
O(P(=O)(O)O)[C@H]1[C@H](N2C3=C(N=C2)C=4N(C=N3)C=CN4)O[C@H](COP(OP(OC[C@H]5O[C@H]([C@H](O)[C@@H]5O)[N+]=6C=C(C(N)=O)C=CC6)(=O)[O-])(=O)O)[C@H]1O.[Na]
Canonical SMILES
[Na].O=C(N)C1=CC=C[N+](=C1)C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(N4C=NC=5C6=NC=CN6C=NC54)C(OP(=O)(O)O)C3O)C(O)C2O
Other Names for this Substance
- Pyridinium, 3-(aminocarbonyl)-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-, inner salt, P′→5′-ester with 3-(2-O-phosphono-β-D-ribofuranosyl)-3H-imidazo[2,1-i]purine, monosodium salt
- 3H-Imidazo[2,1-i]purine, pyridinium deriv.
